ethanedioic acid; ethyl 3-azanyl-3-(2,5-dimethylphenyl)propanoate

Systemtic Name: ethanedioic acid; ethyl 3-azanyl-3-(2,5-dimethylphenyl)propanoate Openeye Name: ethyl 3-amino-3-(2,5-dimethylphenyl)propanoate; oxalic acid CAS Name: 3-amino-3-(2,5-dimethylphenyl)propanoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 3-amino-3-(2,5-dimethylphenyl)propanoate; oxalic acid Traditional Name: 3-amino-3-(2,5-dimethylphenyl)propionic acid ethyl ester; oxalic acid Formula: C15H21NO6 MolecularWeight: 311.33034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=C(C=CC(=C1)C)C)N.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)CC(C1=C(C=CC(=C1)C)C)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19NO2.C2H2O4/c1-4-16-13(15)8-12(14)11-7-9(2)5-6-10(11)3;3-1(4)2(5)6/h5-7,12H,4,8,14H2,1-3H3;(H,3,4)(H,5,6)